Detalles de la búsqueda
1.
Synthesis and Evaluation of Habiterpenol Analogs.
Chem Pharm Bull (Tokyo)
; 70(4): 261-268, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35370202
2.
Identification of novel EED-EZH2 PPI inhibitors using an in silico fragment mapping method.
J Comput Aided Mol Des
; 35(5): 601-611, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33635506
3.
In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery.
J Comput Aided Mol Des
; 32(11): 1229-1245, 2018 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-30196523
4.
Validation of molecular force field parameters for peptides including isomerized amino acids.
Chirality
; 30(4): 332-341, 2018 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-29393985
5.
Linear Discriminant Analysis for the in Silico Discovery of Mechanism-Based Reversible Covalent Inhibitors of a Serine Protease: Application of Hydration Thermodynamics Analysis and Semi-empirical Molecular Orbital Calculation.
Chem Pharm Bull (Tokyo)
; 66(4): 399-409, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-29607905
6.
Design of a New α-1-C-Alkyl-DAB Derivative Acting as a Pharmacological Chaperone for ß-Glucocerebrosidase Using Ligand Docking and Molecular Dynamics Simulation.
Molecules
; 23(10)2018 Oct 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-30340368
7.
Gibbs Free Energy of Hydrolytic Water Molecule in Acyl-Enzyme Intermediates of a Serine Protease: A Potential Application for Computer-Aided Discovery of Mechanism-Based Reversible Covalent Inhibitors.
Chem Pharm Bull (Tokyo)
; 65(10): 889-892, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-28966272
8.
Synthesis of a novel universal opioid receptor agonist with the 1,3,5-trioxazatriquinane skeleton and its pharmacologies.
Bioorg Med Chem Lett
; 24(20): 4895-8, 2014 Oct 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-25248680
9.
AMF-26, a novel inhibitor of the Golgi system, targeting ADP-ribosylation factor 1 (Arf1) with potential for cancer therapy.
J Biol Chem
; 287(6): 3885-97, 2012 Feb 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-22158626
10.
Brazilian propolis-derived components inhibit TNF-α-mediated downregulation of adiponectin expression via different mechanisms in 3T3-L1 adipocytes.
Biochim Biophys Acta
; 1810(7): 695-703, 2011 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-21554928
11.
Essential structure of opioid κ receptor agonist nalfurafine for binding to κ receptor 1: synthesis of decahydroisoquinoline derivatives and their pharmacologies.
Chem Pharm Bull (Tokyo)
; 60(8): 945-8, 2012.
Artículo
en Inglés
| MEDLINE | ID: mdl-22863695
12.
3D-pharmacophore identification for kappa-opioid agonists using ligand-based drug-design techniques.
Top Curr Chem
; 299: 277-307, 2011.
Artículo
en Inglés
| MEDLINE | ID: mdl-21630511
13.
Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology.
Bioorg Med Chem Lett
; 20(1): 121-4, 2010 Jan 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-19962305
14.
Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.
Bioorg Med Chem
; 18(12): 4446-52, 2010 Jun 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-20478711
15.
NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin.
Bioorg Med Chem
; 18(16): 5835-44, 2010 Aug 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-20667742
16.
Evaluation of the searching abilities of HBOP and HBSITE for binding pocket detection.
J Comput Chem
; 30(16): 2728-37, 2009 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-19399761
17.
Structure-based virtual screening for novel chymase inhibitors by in silico fragment mapping.
J Mol Graph Model
; 89: 102-108, 2019 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-30884446
18.
[Identifying Inhibitors of USP7-HDM2 Protein-Protein Interaction (PPI) by the in Silico Fragment-mapping Method].
Yakugaku Zasshi
; 139(5): 827-835, 2019 May 01.
Artículo
en Japonés
| MEDLINE | ID: mdl-30842349
19.
In silico multi-filter screening approaches for developing novel beta-secretase inhibitors.
Bioorg Med Chem Lett
; 18(9): 2771-5, 2008 May 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-18434150
20.
Precise prediction of activators for the human constitutive androstane receptor using structure-based three-dimensional quantitative structure-activity relationship methods.
Drug Metab Pharmacokinet
; 32(3): 179-188, 2017 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-28412023